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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sodium channel protein type 5 subunit alpha' and Ligand = 'BDBM231435'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM231435
PNG
(US9346798, 182)
Show SMILES COc1cc(ccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
Show InChI InChI=1S/C19H16F3N3O4S2/c1-28-16-10-12(19(20,21)22)2-4-14(16)25-7-8-29-17-11-13(3-5-15(17)25)31(26,27)24-18-23-6-9-30-18/h2-6,9-11H,7-8H2,1H3,(H,23,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.99E+3n/an/an/an/an/an/a



AMGEN INC.

US Patent


Assay Description
HEK 293 cells stably transfected with either Nav 1.7 or with Nav 1.5 were recorded in population patch-clamp mode with the IonWorks® Quattro auto...


US Patent US9346798 (2016)


BindingDB Entry DOI: 10.7270/Q24X56N2
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM231435
PNG
(US9346798, 182)
Show SMILES COc1cc(ccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
Show InChI InChI=1S/C19H16F3N3O4S2/c1-28-16-10-12(19(20,21)22)2-4-14(16)25-7-8-29-17-11-13(3-5-15(17)25)31(26,27)24-18-23-6-9-30-18/h2-6,9-11H,7-8H2,1H3,(H,23,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Department of Medicinal Chemistry, Amgen Inc., 360 Binney Street, Cambridge, MA 02142, United States. Electronic address: daniel.la@sagerx.com.

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.5 expressed in HEK295 cells at holding potential of -125 mV with test potentials to -10 mV by whole cell voltage clamp metho...


Bioorg Med Chem Lett 27: 3477-3485 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.070
BindingDB Entry DOI: 10.7270/Q2H134H4
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM231435
PNG
(US9346798, 182)
Show SMILES COc1cc(ccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
Show InChI InChI=1S/C19H16F3N3O4S2/c1-28-16-10-12(19(20,21)22)2-4-14(16)25-7-8-29-17-11-13(3-5-15(17)25)31(26,27)24-18-23-6-9-30-18/h2-6,9-11H,7-8H2,1H3,(H,23,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards estrogen receptor alpha by [3H]17-beta-estradiol displacement.


J Med Chem 60: 5990-6017 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01850
BindingDB Entry DOI: 10.7270/Q2H1349F
More data for this
Ligand-Target Pair